Cas no 637022-63-0 (1H-Pyrazole-3-carboxylic acid, 4-chloro-5-methyl-, ethyl ester)
637022-63-0 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-chloro-5-methyl-, ethyl ester
CAS No:637022-63-0
MF:C7H9ClN2O2
MW:188.611560583115
CID:1656835
PubChem ID:604759
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid, 4-chloro-5-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 4-chloro-5-methyl-, ethyl ester
- 4-chloro-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
- ethyl 4-chloro-3-methyl-1H-pyrazole-5-carboxylate
- F97767
- Ethyl 4-chloro-3-methyl-1H-pyrazole-5-carboxylate #
- Ethyl 4-chloro-5-methylpyrazole-3-carboxylate
- 4-Chloro-5-methyl-2H-pyrazole-3-carboxylic acid ethyl ester
- SCHEMBL2846088
- 637022-63-0
- AKOS024015213
- DB-091513
- 4-Chloro-5-methylpyrazole-3-carboxylic Acid Ethyl Ester
- 4-Chloro-3-methyl-1H-pyrazole-5-carboxylic acid ethyl ester
- ethyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
-
- MDL： MFCD17193555
- Inchi： 1S/C7H9ClN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10)
- InChI Key： YEUFDJAHBFUZMI-UHFFFAOYSA-N
- SMILES： ClC1C(C(=O)OCC)=NNC=1C
Computed Properties
- Exact Mass: 188.03537
- Monoisotopic Mass: 188.0352552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 54.98
1H-Pyrazole-3-carboxylic acid, 4-chloro-5-methyl-, ethyl ester Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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